REMARK  Name = BDB063898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.442  -0.189  -0.008  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -1.053  -1.044  -0.856  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -2.033  -1.191  -0.999  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -0.111  -1.771  -1.508  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -0.270  -2.641  -2.340  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.154  -1.234  -0.942  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.353  -1.675  -1.343  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.858  -0.261  -0.013  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.665  -1.208  -0.867  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.888  -0.846   0.471  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.178  -0.442   0.861  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.244  -0.403  -0.040  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.456   0.015   0.488  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.304   0.286   1.764  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.013  -0.784  -1.375  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.736   0.062   2.413  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.731  -1.187  -1.772  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.097   0.674   0.807  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -0.432   1.273   1.293  0.00  0.00    +0.149 HD
BRANCH  18  21
ATOM     20  C   LIG    1       -3.587   0.314   0.884  0.00  0.00    +0.138 C 
ATOM     21  C   LIG    1       -2.412   1.300   0.660  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1       -2.500   2.107  -0.648  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -3.334   1.431  -1.729  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -4.740   1.064  -1.258  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -4.862   0.874   0.250  0.00  0.00    +0.033 C 
BRANCH  20  27
ATOM     26  C   LIG    1       -2.918  -0.642   2.978  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -3.885   0.131   2.279  0.00  0.00    -0.378 OA
ENDBRANCH  20  27
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4